Ethyl 3-(2-bromobenzamido)propanoate
TL;DR: Ethyl 3-(2-bromobenzamido)propanoate (CAS 381186-75-0) is a chemical compound with molecular formula C12H14BrNO3 and molecular weight 299.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 3-[(2-bromobenzoyl)amino]propanoate
Also Known As: ethyl 3-(2-bromobenzamido)propanoate, ethyl 3-[(2-bromobenzoyl)amino]propanoate, ethyl N-[(2-bromophenyl)carbonyl]-beta-alaninate, .beta.-Alanine, N-(2-bromobenzoyl)-, ethyl ester
| Molecular Formula | C12H14BrNO3 |
|---|---|
| Molecular Weight | 299.02 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 55.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 299.01572 |
| Heavy Atoms | 17 |
| Complexity | 270.0 |
Chemical Identifiers
| CAS Number | 381186-75-0 |
|---|---|
| SMILES | CCOC(=O)CCNC(=O)C1=CC=CC=C1Br |
| InChIKey | ZMKVTXPMZTTWAM-UHFFFAOYSA-N |
Product Overview
Ethyl 3-(2-bromobenzamido)propanoate (CAS 381186-75-0), with molecular formula C12H14BrNO3 and molecular weight 299.02 g/mol. IUPAC: ethyl 3-[(2-bromobenzoyl)amino]propanoate.
Chemical Property Profile of Ethyl 3-(2-bromobenzamido)propanoate
Property Insights of Ethyl 3-(2-bromobenzamido)propanoate
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 3-(2-bromobenzamido)propanoate. With a topological polar surface area (TPSA) of 55.4 Ų, Ethyl 3-(2-bromobenzamido)propanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl 3-(2-bromobenzamido)propanoate has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Ethyl 3-(2-bromobenzamido)propanoate?
The CAS number of Ethyl 3-(2-bromobenzamido)propanoate is 381186-75-0.
What is the molecular formula of Ethyl 3-(2-bromobenzamido)propanoate?
The molecular formula of Ethyl 3-(2-bromobenzamido)propanoate is C12H14BrNO3.
What is the molecular weight of Ethyl 3-(2-bromobenzamido)propanoate?
The molecular weight of Ethyl 3-(2-bromobenzamido)propanoate is 299.02 g/mol.
Where can I buy Ethyl 3-(2-bromobenzamido)propanoate?
You can request a quote for Ethyl 3-(2-bromobenzamido)propanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 3-(2-bromobenzamido)propanoate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 3-(2-bromobenzamido)propanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.